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4-[2-Pyridyl]-3-thiosemicarbazone 4'-bromoacetophenone

View entire compound with spectra: 1 NMR, and 1 FTIR

4-[2-Pyridyl]-3-thiosemicarbazone 4'-bromoacetophenone
SpectraBase Compound ID 5UZ1Kt6y5xK
InChI InChI=1S/C14H13BrN4S/c1-10(11-5-7-12(15)8-6-11)18-19-14(20)17-13-4-2-3-9-16-13/h2-9H,1H3,(H2,16,17,19,20)/b18-10+
InChIKey BRFZTVLPFQRDAI-VCHYOVAHSA-N
Mol Weight 349.25 g/mol
Molecular Formula C14H13BrN4S
Exact Mass 348.004431 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID AuROhEtSbsQ
Name 4-[2-Pyridyl]-3-thiosemicarbazone 4'-bromoacetophenone
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 348.004430609 u
Formula C14H13BrN4S
InChI InChI=1S/C14H13BrN4S/c1-10(11-5-7-12(15)8-6-11)18-19-14(20)17-13-4-2-3-9-16-13/h2-9H,1H3,(H2,16,17,19,20)/b18-10+
InChIKey BRFZTVLPFQRDAI-VCHYOVAHSA-N
Molecular Weight 349.250 g/mol
SMILES C1(\C(=N\NC(NC2=CC=CC=N2)=S)C)=CC=C(C=C1)Br
Spectrum/Structure Validation Score (Vapor Phase IR) 0.858323